bis(1-ethylpiperidin-4-one);bis(N-propylpropan-1-amine)

C26H56N4O2 — CID 70278799

IUPACbis(1-ethylpiperidin-4-one);bis(N-propylpropan-1-amine)
SMILESCCCNCCC.CCCNCCC.CCN1CCC(=O)CC1.CCN1CCC(=O)CC1
InChIInChI=1S/2C7H13NO.2C6H15N/c2*1-2-8-5-3-7(9)4-6-8;2*1-3-5-7-6-4-2/h2*2-6H2,1H3;2*7H,3-6H2,1-2H3
InChIKeyMRFCCJIRWNTREM-UHFFFAOYSA-N
MW456.76 g/mol
LogP4.13
Rot. Bonds10

About bis(1-ethylpiperidin-4-one);bis(N-propylpropan-1-amine)

bis(1-ethylpiperidin-4-one);bis(N-propylpropan-1-amine) (PubChem CID 70278799) has the molecular formula C26H56N4O2 and a molecular weight of 456.76 g/mol. Its IUPAC name is bis(1-ethylpiperidin-4-one);bis(N-propylpropan-1-amine).

Molecular Properties

Compound Namebis(1-ethylpiperidin-4-one);bis(N-propylpropan-1-amine)
PubChem CID70278799
Molecular FormulaC26H56N4O2
Molecular Weight456.76 g/mol
Exact Mass456.44
IUPAC Namebis(1-ethylpiperidin-4-one);bis(N-propylpropan-1-amine)
SMILESCCCNCCC.CCCNCCC.CCN1CCC(=O)CC1.CCN1CCC(=O)CC1
InChIInChI=1S/2C7H13NO.2C6H15N/c2*1-2-8-5-3-7(9)4-6-8;2*1-3-5-7-6-4-2/h2*2-6H2,1H3;2*7H,3-6H2,1-2H3
InChIKeyMRFCCJIRWNTREM-UHFFFAOYSA-N
XLogP4.13
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.76
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze bis(1-ethylpiperidin-4-one);bis(N-propylpropan-1-amine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(1-ethylpiperidin-4-one);bis(N-propylpropan-1-amine)?
The IUPAC name of bis(1-ethylpiperidin-4-one);bis(N-propylpropan-1-amine) (CID 70278799) is bis(1-ethylpiperidin-4-one);bis(N-propylpropan-1-amine).
What is the SMILES notation for bis(1-ethylpiperidin-4-one);bis(N-propylpropan-1-amine)?
The canonical SMILES for bis(1-ethylpiperidin-4-one);bis(N-propylpropan-1-amine) is CCCNCCC.CCCNCCC.CCN1CCC(=O)CC1.CCN1CCC(=O)CC1.
What is the InChIKey of bis(1-ethylpiperidin-4-one);bis(N-propylpropan-1-amine)?
The InChIKey is MRFCCJIRWNTREM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H13NO.2C6H15N/c2*1-2-8-5-3-7(9)4-6-8;2*1-3-5-7-6-4-2/h2*2-6H2,1H3;2*7H,3-6H2,1-2H3.
What are the key properties of bis(1-ethylpiperidin-4-one);bis(N-propylpropan-1-amine)?
bis(1-ethylpiperidin-4-one);bis(N-propylpropan-1-amine) has a molecular weight of 456.76 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethylpiperidin-4-one);bis(N-propylpropan-1-amine) is sourced from PubChem (CID 70278799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).